[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol

C12H20N2O2 — CID 115093890

IUPAC[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
SMILESCC(C)N1CCC(c2cc(CO)no2)CC1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-5-3-10(4-6-14)12-7-11(8-15)13-16-12/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyYBSCZZGYFMCQLD-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.75
Rot. Bonds3

About [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol

[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol (PubChem CID 115093890) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
PubChem CID115093890
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol
SMILESCC(C)N1CCC(c2cc(CO)no2)CC1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-5-3-10(4-6-14)12-7-11(8-15)13-16-12/h7,9-10,15H,3-6,8H2,1-2H3
InChIKeyYBSCZZGYFMCQLD-UHFFFAOYSA-N
XLogP1.75
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(thian-4-yl)-1,2-oxazol-3-yl]methanol
CID 115093882
[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115093923
[3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079897
[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115094198
[5-[(2S)-2-methylcyclopropyl]-1,2-oxazol-3-yl]methanol
CID 142389814
3-benzyl-5-(1-methylpiperidin-4-yl)-1,2-oxazole
CID 142020979
[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092392
[5-(thiolan-2-yl)-1,2-oxazol-3-yl]methanol
CID 115094035
[5-(oxan-2-yl)-1,2-oxazol-3-yl]methanol
CID 115094067
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117259550
5-cyclopropyl-1,2-oxazole-3-carboxamide;3-methyl-1-propan-2-ylpyrrolidine;molecular hydrogen
CID 145039972
5-cyclopropyl-3-(pyrrolidin-1-ylmethyl)-1,2-oxazole
CID 53017343

Frequently Asked Questions

What is the IUPAC name of [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol (CID 115093890) is [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol is CC(C)N1CCC(c2cc(CO)no2)CC1.
What is the InChIKey of [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol?
The InChIKey is YBSCZZGYFMCQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-5-3-10(4-6-14)12-7-11(8-15)13-16-12/h7,9-10,15H,3-6,8H2,1-2H3.
What are the key properties of [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol?
[5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol has a molecular weight of 224.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-propan-2-ylpiperidin-4-yl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 115093890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).